0 B10R1.14 CCC(C)c1nc(no1)C 270196a_100000212224_100011192722 [1,0,0,0,0,0|1,1,1]=4 1 B10R1.14 CCC(C)c1noc(n1)C 270196a_100000752268_100000070787 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.14 CNC(C)c1nc(cs1)C 2230a_100015185622_200000210301 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.14 CNC(C)c1nc(cs1)C 269862a_106832991636_100011857357 [1,0,0,0,0,0|1,0,2]=4 4 B10R1.14 CNC(C)c1ncc(s1)C 269862a_106832991636_100011857370 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.14 Cc1csc(n1)C(C)N[13CH3] 2230a_100015185622_200025704644 [1,0,0,0,0,0|1,0,2]=4 6 B10R1.58 Cc1nc(sc1C)N(C)C 27a_100102631434_100000765934 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.131 CCNc1nc(c(s1)C)C 27a_100015525214_100000765934 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.131 CCSc1nc(c(s1)C)C 62a_100000210202_100000765934 [1,0,0,0,0,0|1,0,2]=4 9 B10R1.131 CCSc1nc(c(s1)C)C 62a_100000765934_100000210202 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.131 CNCc1nc(c(s1)C)C 207a_100102657272_100011775437 [1,0,0,0,0,0|1,0,2]=4 11 B10R1.131 CNCc1nc(c(s1)C)C 2230a_106832991635_100012347604 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.131 CNCc1nc(c(s1)C)C 270004a_106832991635_100011775437 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.131 CNCc1nc(c(s1)C)C 34a_100102657272_100012347604 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.131 CNCc1nc(c(s1)C)C 7a_106832991635_100012347604 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.131 COCc1nc(c(s1)C)C 34a_100138415774_100012347604 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.131 COCc1nc(c(s1)C)C 7a_100000760949_200000210301 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.131 CSCc1nc(c(s1)C)C 62a_100000763442_200000210301 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.131 CSCc1nc(c(s1)C)C 62a_200000210301_100012347604 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.131 Cc1nc(sc1C)CO[13CH3] 7a_100000760949_200025704644 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.131 Cc1nc(sc1C)CS[13CH3] 62a_100000763442_200025704644 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.131 Cc1nc(sc1C)CS[13CH3] 62a_200025704644_100012347604 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.109 Cc1nc(sc1C)N(C)C(C)C 27a_200000211004_100000765934 [0,1,0,0,0,0|1,0,2]=4 23 B12R1.248 CCC(NC)c1nc(c(s1)C)C 2230a_200015187085_200000210301 [0,1,0,0,0,0|0,0,2]=3 24 B12R1.248 CCC(N[13CH3])c1nc(c(s1)C)C 2230a_200015187085_200025704644 [0,1,0,0,0,0|0,0,2]=3 25 B12R1.248 CCN(CC)c1nc(c(s1)C)C 27a_100000724800_100000765934 [0,1,0,0,0,0|1,0,2]=4 26 B12R1.314 CCCN(C)c1nc(c(s1)C)C 27a_100000747261_100000765934 [0,1,0,0,0,0|1,0,2]=4 27 B12R1.314 Cc1nc(sc1C)N(C)CCO 27a_100000210263_100000765934 [0,1,0,0,0,0|1,0,2]=4 28 B10R0.46 CCC(=CC(=O)C(C)CC)C 1458a_100020758463_100000758301 [0,0,1,0,0,0|1,1,1]=4 29 B10R0.46 CCC(C)NC(C)C(C)CC 269862a_100000209981_100000210599 [0,0,1,0,0,0|1,0,2]=4 30 B10R0.46 CCC(C)NC(C)C(C)CC 270004a_100000209981_100000210599 [0,0,1,0,0,0|1,0,2]=4 31 B10R0.46 CCC(C)OC(C)C(C)CC 7a_100011215189_100000758301 [0,0,1,0,0,0|1,1,1]=4 32 B10R0.73 CCCC(NCC)C(C)CC 270004a_100015525214_100011218362 [0,0,1,0,0,0|1,0,2]=4 33 B10R0.73 CCCC(OCC)C(C)CC 34a_100011215975_100000210202 [0,0,1,0,0,0|1,1,1]=4 34 B10R0.73 CCCC(OCC)C(C)CC 7a_100011215975_100000210202 [0,0,1,0,0,0|1,1,1]=4 35 B10R0.82 C=C(C)C(=NNC(C)CC)C 4a_100000718999_100011216138 [0,0,1,0,0,0|2,0,1]=4 36 B10R0.82 C=C(C)C(C)NCC(C)CC 269862a_100020588543_100011216138 [0,0,1,0,0,0|2,0,0]=3 37 B10R0.82 C=C(C)C(C)NCC(C)CO 269862a_100000744482_100011216138 [0,0,1,0,0,0|3,0,0]=4 38 B10R0.82 C=C(C)C(C)NCC(O)CC 269862a_100011218483_100011216138 [0,0,1,0,0,0|3,0,0]=4 39 B10R0.82 C=C(C)C(C)NC[C@@H](C)OC 269862a_100020591295_100011216138 [0,0,1,0,0,0|3,0,0]=4 40 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,0,1,0,0,0|2,1,0]=4 41 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100009814033_100011219619 [0,0,1,0,0,0|3,0,0]=4 42 B10R0.82 CC(=O)C(C)SCC(O)CO 62a_100011219619_100009814033 [0,0,1,0,0,0|3,0,0]=4 43 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,0,1,0,0,0|2,0,0]=3 44 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,0,1,0,0,0|2,0,0]=3 45 B10R0.82 CC(=O)C(C)SC[C@@H](O)CF 62a_100009814033_100015614560 [0,0,1,0,0,0|3,0,0]=4 46 B10R0.82 CC(=O)C(C)SC[C@@H](O)CF 62a_100015614560_100009814033 [0,0,1,0,0,0|3,0,0]=4 47 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009814033_100009815848 [0,0,1,0,0,0|3,0,0]=4 48 B10R0.82 CC(=O)C(C)SC[C@@H](O)CO 62a_100009815848_100009814033 [0,0,1,0,0,0|3,0,0]=4 49 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000702099 [0,0,1,0,0,0|2,0,1]=4 50 B10R0.82 CC(SC[C@@H](C)CO)C(=O)N 62a_100000702099_100000059175 [0,0,1,0,0,0|2,0,1]=4 51 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100000747405_100009814033 [0,0,1,0,0,0|2,0,1]=4 52 B10R0.82 CCC(=O)CSC(C)C(=O)C 62a_100009814033_100000747405 [0,0,1,0,0,0|2,0,1]=4 53 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,0,1,0,0,0|3,0,0]=4 54 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [0,0,1,0,0,0|2,0,1]=4 55 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [0,0,1,0,0,0|2,0,1]=4 56 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [0,0,1,0,0,0|2,0,1]=4 57 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [0,0,1,0,0,0|2,0,1]=4 58 B10R0.82 CCC(C)CNC(=O)C(C)F 11a_100020588543_100000062450 [0,0,1,0,0,0|2,0,1]=4 59 B10R0.82 CCC(C)CNC(=O)C(C)F 1626a_100020588543_100000062450 [0,0,1,0,0,0|2,0,1]=4 60 B10R0.82 CCC(C)CNC(=O)C(C)F 240690a_100020588543_100000062450 [0,0,1,0,0,0|2,0,1]=4 61 B10R0.82 CCC(C)CNC(=O)C(C)F 527a_100020588543_100000062450 [0,0,1,0,0,0|2,0,1]=4 62 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,0,1,0,0,0|1,1,1]=4 63 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,0,1,0,0,0|1,1,1]=4 64 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,0,1,0,0,0|1,1,1]=4 65 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,0,1,0,0,0|2,0,0]=3 66 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,0,1,0,0,0|2,0,1]=4 67 B10R0.82 CCC(C)CNC(C)C(C)C 2230a_100000211541_100000748023 [0,0,1,0,0,0|1,0,2]=4 68 B10R0.82 CCC(C)CNC(C)C(C)C 270004a_100000211541_100000243153 [0,0,1,0,0,0|1,0,2]=4 69 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,0,1,0,0,0|3,0,0]=4 70 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,0,1,0,0,0|2,0,1]=4 71 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,0,1,0,0,0|2,0,1]=4 72 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,0,1,0,0,0|2,0,1]=4 73 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,0,1,0,0,0|1,1,0]=3 74 B10R0.82 CCC(C)COC(C)C(C)C 7a_100000748068_100000748023 [0,0,1,0,0,0|1,1,1]=4 75 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,0,1,0,0,0|2,1,0]=4 76 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,0,1,0,0,0|1,1,1]=4 77 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,0,1,0,0,0|1,1,1]=4 78 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,0,1,0,0,0|1,0,0]=2 79 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,0,1,0,0,0|1,0,0]=2 80 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,0,1,0,0,0|1,0,1]=3 81 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,0,1,0,0,0|1,0,1]=3 82 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,0,1,0,0,0|2,0,1]=4 83 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,0,1,0,0,0|2,0,1]=4 84 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,0,1,0,0,0|3,0,0]=4 85 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,0,1,0,0,0|3,0,0]=4 86 B10R0.82 CCC(C)NN=C(C)C(C)C 4a_100000718999_100000211110 [0,0,1,0,0,0|2,0,0]=3 87 B10R0.82 CCC(C)NN=C(C)C(C)O 4a_100000718999_100000212229 [0,0,1,0,0,0|1,1,0]=3 88 B10R0.82 CCC(C)NN=C(C)C(F)F 4a_100000718999_100000764096 [0,0,1,0,0,0|3,0,0]=4 89 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,0,1,0,0,0|3,0,0]=4 90 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,0,1,0,0,0|3,0,0]=4 91 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,0,1,0,0,0|3,0,0]=4 92 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,0,1,0,0,0|2,1,0]=4 93 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,0,1,0,0,0|2,0,0]=3 94 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,0,1,0,0,0|2,0,0]=3 95 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100000702099_100011218378 [0,0,1,0,0,0|2,0,1]=4 96 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100011218378_100000702099 [0,0,1,0,0,0|2,0,1]=4 97 B10R0.82 CC[C@H](C)CNC(C)C(C)C 2230a_100000211541_100009816398 [0,0,1,0,0,0|1,0,2]=4 98 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,0,1,0,0,0|3,0,0]=4 99 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,0,1,0,0,0|2,0,1]=4 100 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,0,1,0,0,0|2,0,1]=4 101 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,0,1,0,0,0|1,1,0]=3 102 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,0,1,0,0,0|1,1,0]=3 103 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,0,1,0,0,0|1,1,1]=4 104 B10R0.82 CC[C@H](C)COC(C)C(C)C 7a_100000748068_100009816398 [0,0,1,0,0,0|1,1,1]=4 105 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,0,1,0,0,0|2,1,0]=4 106 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,0,1,0,0,0|1,1,1]=4 107 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,0,1,0,0,0|1,1,1]=4 108 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,0,1,0,0,0|1,0,0]=2 109 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,0,1,0,0,0|1,0,0]=2 110 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,0,1,0,0,0|1,0,1]=3 111 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,0,1,0,0,0|1,0,1]=3 112 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,0,1,0,0,0|2,0,1]=4 113 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,0,1,0,0,0|2,0,1]=4 114 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,0,1,0,0,0|3,0,0]=4 115 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,0,1,0,0,0|3,0,0]=4 116 B10R0.82 CO[C@H](C)CNC(C)C(=O)C 2230a_100020591295_100009814033 [0,0,1,0,0,0|3,0,0]=4 117 B12R2.5099 Cc1nc(sc1C)N2CCC2 27a_100000754969_100000765934 [0,0,0,1,0,0|1,0,2]=4 118 B12R1.533 CCC(C)Sc1cc(c(s1)C)C 62a_100000758301_100009850898 [0,0,0,0,0,1|1,0,2]=4 119 B12R1.533 CCC(C)Sc1cc(c(s1)C)C 62a_100009850898_100000758301 [0,0,0,0,0,1|1,0,2]=4 120 B12R1.533 CCC(C)Sc1cn(c(n1)C)C 62a_100000684932_100000758301 [0,0,0,0,0,1|2,0,1]=4 121 B12R1.533 CCC(C)Sc1cn(c(n1)C)C 62a_100000758301_100000684932 [0,0,0,0,0,1|2,0,1]=4 122 B12R1.533 CCC(C)Sc1nc(c(s1)C)C 62a_100000758301_100000765934 [0,0,0,0,0,1|0,0,2]=3 123 B12R1.533 CCC(C)Sc1nc(c(s1)C)C 62a_100000765934_100000758301 [0,0,0,0,0,1|0,0,2]=3 124 B12R1.533 CCN(C)Cc1nc(c(s1)C)C 2230a_100000225621_100012347604 [0,0,0,0,0,1|1,0,2]=4 125 B12R1.533 CCN(C)Cc1nc(c(s1)C)C 269982a_100000225621_100012347604 [0,0,0,0,0,1|1,0,2]=4 126 B12R1.533 COC(C)Sc1nc(c(s1)C)C 62a_100000765934_100009879195 [0,0,0,0,0,1|1,0,2]=4 127 B12R1.533 COC(C)Sc1nc(c(s1)C)C 62a_100009879195_100000765934 [0,0,0,0,0,1|1,0,2]=4 128 B12R1.533 Cc1nc(sc1C)N[C@H](C)CF 27a_100102880703_100000765934 [0,0,0,0,0,1|1,0,2]=4 129 B12R1.533 Cc1nc(sc1C)N[C@H](C)CO 27a_100000737577_100000765934 [0,0,0,0,0,1|1,0,2]=4 130 B12R1.533 Cc1nc(sc1C)SC(C)CO 62a_100012180447_100000765934 [0,0,0,0,0,1|1,0,2]=4 131 B12R1.533 Cc1nc(sc1C)S[C@H](C)CO 62a_100000765934_100016084084 [0,0,0,0,0,1|1,0,2]=4 132 B12R1.533 Cc1nc(sc1C)S[C@H](C)CO 62a_100016084084_100000765934 [0,0,0,0,0,1|1,0,2]=4 133 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [1,0,1,0,0,0|1,1,0]=4 134 B9R0.24 C#CC(C)SCC(C)CC 62a_200000035995_100000748023 [1,0,1,0,0,0|0,0,2]=4 135 B9R0.24 C#CC(C)SC[C@@H](C)CC 62a_200000035995_100009816398 [1,0,1,0,0,0|0,0,2]=4 136 B9R0.24 C=CC(C)OCC(C)CC 34a_100000695699_100000748023 [1,0,1,0,0,0|0,1,1]=4 137 B9R0.24 C=CC(C)OC[C@@H](C)CC 34a_100000695699_100009816398 [1,0,1,0,0,0|0,1,1]=4 138 B9R0.24 C=CC(C)SCC(C)CC 62a_100011215867_100000748023 [1,0,1,0,0,0|0,0,1]=3 139 B9R0.24 C=CC(C)SCC(O)CC 62a_100011215867_100011218378 [1,0,1,0,0,0|1,0,1]=4 140 B9R0.24 C=CC(C)SC[C@@H](C)CC 62a_100011215867_100009816398 [1,0,1,0,0,0|0,0,1]=3 141 B9R0.24 C=CC(C)SC[C@@H](C)CO 62a_100011215867_100000059175 [1,0,1,0,0,0|1,0,1]=4 142 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,0,1,0,0,0|2,0,0]=4 143 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [1,0,1,0,0,0|1,0,1]=4 144 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [1,0,1,0,0,0|1,0,1]=4 145 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [1,0,1,0,0,0|1,0,1]=4 146 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [1,0,1,0,0,0|1,0,1]=4 147 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [1,0,1,0,0,0|2,0,0]=4 148 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [1,0,1,0,0,0|2,0,0]=4 149 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [1,0,1,0,0,0|0,0,2]=4 150 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [1,0,1,0,0,0|0,0,2]=4 151 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [1,0,1,0,0,0|0,0,2]=4 152 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [1,0,1,0,0,0|0,1,1]=4 153 B9R0.24 CCC(C)CSC(C)C#N 62a_100000703298_100000748023 [1,0,1,0,0,0|0,0,2]=4 154 B9R0.24 CCC(C)CSC(C)C#N 62a_100000748023_100000703298 [1,0,1,0,0,0|0,0,2]=4 155 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [1,0,1,0,0,0|0,0,1]=3 156 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [1,0,1,0,0,0|0,0,1]=3 157 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [1,0,1,0,0,0|1,0,1]=4 158 B9R0.24 CCC(C)CSC(C)OC 62a_100000748023_100009879195 [1,0,1,0,0,0|1,0,0]=3 159 B9R0.24 CCC(C)CSC(C)OC 62a_100009879195_100000748023 [1,0,1,0,0,0|1,0,0]=3 160 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [1,0,1,0,0,0|1,0,1]=4 161 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [1,0,1,0,0,0|1,0,1]=4 162 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [1,0,1,0,0,0|0,0,2]=4 163 B9R0.24 CCC(C)NN=C(C)CF 4a_100000718999_100000039719 [1,0,1,0,0,0|2,0,0]=4 164 B9R0.24 CCC(C)NN=C(C)CO 4a_100000718999_100000211253 [1,0,1,0,0,0|1,1,0]=4 165 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [1,0,1,0,0,0|0,1,1]=4 166 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [1,0,1,0,0,0|0,1,1]=4 167 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [1,0,1,0,0,0|0,0,1]=3 168 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [1,0,1,0,0,0|0,0,1]=3 169 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [1,0,1,0,0,0|1,0,1]=4 170 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [1,0,1,0,0,0|1,0,1]=4 171 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [1,0,1,0,0,0|1,0,1]=4 172 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [1,0,1,0,0,0|1,0,1]=4 173 B9R0.24 CCC(O)CSC(C)OC 62a_100009879195_100011218378 [1,0,1,0,0,0|2,0,0]=4 174 B9R0.24 CCC(O)CSC(C)OC 62a_100011218378_100009879195 [1,0,1,0,0,0|2,0,0]=4 175 B9R0.24 CC[C@H](C)CSC(C)C#N 62a_100000703298_100009816398 [1,0,1,0,0,0|0,0,2]=4 176 B9R0.24 CC[C@H](C)CSC(C)C#N 62a_100009816398_100000703298 [1,0,1,0,0,0|0,0,2]=4 177 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [1,0,1,0,0,0|1,0,1]=4 178 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009816398_100009879195 [1,0,1,0,0,0|1,0,0]=3 179 B9R0.24 CC[C@H](C)CSC(C)OC 62a_100009879195_100009816398 [1,0,1,0,0,0|1,0,0]=3 180 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [1,0,1,0,0,0|1,0,1]=4 181 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [1,0,1,0,0,0|1,0,1]=4 182 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100000059175_100009879195 [1,0,1,0,0,0|2,0,0]=4 183 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100009879195_100000059175 [1,0,1,0,0,0|2,0,0]=4 184 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [1,0,1,0,0,0|1,0,1]=4 185 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [1,0,1,0,0,0|1,0,1]=4 186 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [1,0,1,0,0,0|1,0,1]=4 187 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [1,0,1,0,0,0|2,0,0]=4 188 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [1,0,1,0,0,0|2,0,0]=4 189 B9R0.12 CCCC(NC)C(C)CC 270004a_106832991635_100011218362 [1,0,1,0,0,0|1,0,1]=4 190 B9R0.12 CCCC(OC)C(C)CC 34a_100011215975_200000210301 [1,0,1,0,0,0|2,0,0]=4 191 B9R0.12 CCCC(OC)C(C)CC 7a_100011215975_200000210301 [1,0,1,0,0,0|2,0,0]=4 192 B9R0.12 CCCC(O[13CH3])C(C)CC 34a_100011215975_200025704644 [1,0,1,0,0,0|2,0,0]=4 193 B9R0.12 CCCC(O[13CH3])C(C)CC 7a_100011215975_200025704644 [1,0,1,0,0,0|2,0,0]=4 194 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [1,0,1,0,0,0|1,1,0]=4 195 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [1,0,1,0,0,0|1,1,0]=4 196 B9R0.17 CCCC(CCC)SCC 62a_100000210202_200011218217 [1,0,1,0,0,0|1,0,1]=4 197 B9R0.17 CCCC(CCC)SCC 62a_200011218217_100000210202 [1,0,1,0,0,0|1,0,1]=4 198 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [1,0,1,0,0,0|2,0,0]=4 199 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [1,0,1,0,0,0|1,1,0]=4 200 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [1,0,1,0,0,0|1,1,0]=4 201 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [1,0,1,0,0,0|1,1,0]=4 202 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [1,0,1,0,0,0|1,0,0]=3 203 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [1,0,1,0,0,0|1,0,0]=3 204 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [1,0,1,0,0,0|2,0,0]=4 205 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [1,0,1,0,0,0|2,0,0]=4 206 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [1,0,1,0,0,0|1,0,0]=3 207 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [1,0,1,0,0,0|1,0,0]=3 208 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [1,0,1,0,0,0|2,0,0]=4 209 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [1,0,1,0,0,0|2,0,0]=4 210 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [1,0,1,0,0,0|1,0,1]=4 211 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [1,0,1,0,0,0|1,0,1]=4 212 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [1,0,1,0,0,0|1,0,1]=4 213 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [1,0,1,0,0,0|1,0,1]=4 214 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [1,0,1,0,0,0|1,1,0]=4 215 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [1,0,1,0,0,0|1,0,1]=4 216 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [1,0,1,0,0,0|1,0,1]=4 217 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [1,0,1,0,0,0|2,0,0]=4 218 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [1,0,1,0,0,0|2,0,0]=4 219 B9R0.1 CCC(C)CSCC(C)C 62a_100000210624_100000748023 [1,0,1,0,0,0|1,0,1]=4 220 B9R0.1 CCC(C)CSCC(C)C 62a_100000748023_100000210760 [1,0,1,0,0,0|1,0,1]=4 221 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [1,0,1,0,0,0|1,0,1]=4 222 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [1,0,1,0,0,0|1,0,1]=4 223 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [1,0,1,0,0,0|1,0,1]=4 224 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [1,0,1,0,0,0|1,0,1]=4 225 B9R0.1 CCC(C)NN=CC(C)C 4a_100000718999_100000210432 [1,0,1,0,0,0|2,0,0]=4 226 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [1,0,1,0,0,0|1,1,0]=4 227 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [1,0,1,0,0,0|1,0,1]=4 228 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [1,0,1,0,0,0|1,0,1]=4 229 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [1,0,1,0,0,0|2,0,0]=4 230 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [1,0,1,0,0,0|2,0,0]=4 231 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100000210624_100009816398 [1,0,1,0,0,0|1,0,1]=4 232 B9R0.1 CC[C@H](C)CSCC(C)C 62a_100009816398_100000210760 [1,0,1,0,0,0|1,0,1]=4 233 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [1,0,1,0,0,0|1,0,1]=4 234 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [1,0,1,0,0,0|1,0,1]=4 235 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [1,0,1,0,0,0|1,0,1]=4 236 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [1,0,1,0,0,0|1,0,1]=4 237 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [1,0,1,0,0,0|2,0,0]=4 238 B9R0.7 CC(=NNC(C)C)C(C)C 4a_100000741168_100000211110 [1,0,1,0,0,0|2,0,0]=4 239 B9R0.7 CC(=NNC(C)C)C(C)O 4a_100000741168_100000212229 [1,0,1,0,0,0|1,1,0]=4 240 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,0,1,0,0,0|2,0,0]=4 241 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [1,0,1,0,0,0|2,0,0]=4 242 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [1,0,1,0,0,0|1,1,0]=4 243 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [1,0,1,0,0,0|1,0,0]=3 244 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [1,0,1,0,0,0|1,0,0]=3 245 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [1,0,1,0,0,0|2,0,0]=4 246 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [1,0,1,0,0,0|2,0,0]=4 247 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [1,0,1,0,0,0|2,0,0]=4 248 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [1,0,1,0,0,0|2,0,0]=4 249 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [1,0,1,0,0,0|1,0,1]=4 250 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [1,0,1,0,0,0|1,0,1]=4 251 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [1,0,1,0,0,0|2,0,0]=4 252 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [1,0,1,0,0,0|2,0,0]=4 253 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [1,0,1,0,0,0|2,0,0]=4 254 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [1,0,1,0,0,0|2,0,0]=4 255 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [1,0,1,0,0,0|2,0,0]=4 256 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,0,1,0,0,0|2,0,0]=4 257 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,0,1,0,0,0|2,0,0]=4 258 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,0,1,0,0,0|2,0,0]=4 259 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [1,0,1,0,0,0|2,0,0]=4 260 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [1,0,1,0,0,0|2,0,0]=4 261 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [1,0,1,0,0,0|1,1,0]=4 262 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [1,0,1,0,0,0|1,1,0]=4 263 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [1,0,1,0,0,0|1,0,0]=3 264 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [1,0,1,0,0,0|1,0,0]=3 265 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [1,0,1,0,0,0|1,0,0]=3 266 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [1,0,1,0,0,0|1,0,1]=4 267 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [1,0,1,0,0,0|1,0,1]=4 268 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [1,0,1,0,0,0|1,0,0]=3 269 B9R0.47 CCCNN=C(C)C(C)C 4a_100000740057_100000211110 [1,0,1,0,0,0|2,0,0]=4 270 B9R0.47 CCCNN=C(C)C(C)O 4a_100000740057_100000212229 [1,0,1,0,0,0|1,1,0]=4 271 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [1,0,1,0,0,0|2,0,0]=4 272 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [1,0,1,0,0,0|2,0,0]=4 273 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [1,0,1,0,0,0|2,0,0]=4 274 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [1,0,1,0,0,0|2,0,0]=4 275 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [1,0,1,0,0,0|2,0,0]=4 276 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [1,0,1,0,0,0|2,0,0]=4 277 B11R0.117 CCC(C)C(C)OC(C)C(=O)C 7a_100011215189_100000179758 [0,1,1,0,0,0|1,1,0]=4 278 B11R0.21 C=C(C)C(C)NCC(CC)CC 269862a_100102946423_100011216138 [0,1,1,0,0,0|2,0,0]=4 279 B11R0.21 C=C(C)C(C)NCC(CC)OC 269862a_100000731041_100011216138 [0,1,1,0,0,0|2,0,0]=4 280 B11R0.21 CCC(CC)CNC(C)C(=O)C 2230a_100102946423_100009814033 [0,1,1,0,0,0|2,0,0]=4 281 B11R0.21 CCC(CC)COC(C)C(=O)C 34a_100000212229_100011215472 [0,1,1,0,0,0|1,1,0]=4 282 B11R0.21 CCC(CC)COC(C)C(=O)C 7a_100000703878_100000179758 [0,1,1,0,0,0|1,1,0]=4 283 B11R0.21 CCC(CC)CSC(C)C(=O)C 62a_100009814033_100011215472 [0,1,1,0,0,0|1,0,0]=3 284 B11R0.21 CCC(CC)CSC(C)C(=O)C 62a_100011215472_100009814033 [0,1,1,0,0,0|1,0,0]=3 285 B11R0.21 CCC(CC)CSC(C)C(=O)N 62a_100000702099_100011215472 [0,1,1,0,0,0|1,0,1]=4 286 B11R0.21 CCC(CC)CSC(C)C(=O)N 62a_100011215472_100000702099 [0,1,1,0,0,0|1,0,1]=4 287 B11R0.21 CCC(CC)NN=C(C)C(C)C 4a_100000756293_100000211110 [0,1,1,0,0,0|2,0,0]=4 288 B11R0.21 CCC(CC)NN=C(C)C(C)O 4a_100000756293_100000212229 [0,1,1,0,0,0|1,1,0]=4 289 B11R0.21 CCC(COC(C)C(=O)C)OC 7a_100011934954_100000179758 [0,1,1,0,0,0|1,1,0]=4 290 B11R0.21 COC(CSC(C)C(=O)C)OC 62a_100000751394_100009814033 [0,1,1,0,0,0|2,0,0]=4 291 B11R0.21 COC(CSC(C)C(=O)C)OC 62a_100009814033_100000751394 [0,1,1,0,0,0|2,0,0]=4 292 B11R0.89 CCC(C)NN=C(C)C(C)(C)O 4a_100000718999_100000747739 [0,1,1,0,0,0|1,1,0]=4 293 B11R0.90 CCC(=NNC(C)CC)C(C)C 4a_100000718999_100000210600 [0,1,1,0,0,0|2,0,0]=4 294 B11R0.90 CCC(C)CSC(CC)C(=O)N 62a_100000748023_100000750255 [0,1,1,0,0,0|1,0,1]=4 295 B11R0.90 CCC(C)CSC(CC)C(=O)N 62a_100000750255_100000748023 [0,1,1,0,0,0|1,0,1]=4 296 B11R0.90 CCC(SC[C@@H](C)CC)C(=O)N 62a_100000750255_100009816398 [0,1,1,0,0,0|1,0,1]=4 297 B11R0.90 CCC(SC[C@@H](C)CC)C(=O)N 62a_100009816398_100000750255 [0,1,1,0,0,0|1,0,1]=4 298 B11R0.120 C/C=C(\C)/C(C)NCC(C)CC 269862a_100020588543_100020675665 [0,1,1,0,0,0|2,0,0]=4 299 B11R0.120 CCC(=O)C(C)NCC(C)CC 2230a_100020588543_100000742827 [0,1,1,0,0,0|2,0,0]=4 300 B11R0.120 CCC(=O)C(C)OC[C@@H](C)CC 7a_100009816381_100000742827 [0,1,1,0,0,0|1,1,0]=4 301 B11R0.120 CCC(=O)C(C)SCC(C)CC 62a_100000742827_100000748023 [0,1,1,0,0,0|1,0,0]=3 302 B11R0.120 CCC(=O)C(C)SCC(C)CC 62a_100000748023_100000742827 [0,1,1,0,0,0|1,0,0]=3 303 B11R0.120 CCC(=O)C(C)SCC(O)CC 62a_100000742827_100011218378 [0,1,1,0,0,0|2,0,0]=4 304 B11R0.120 CCC(=O)C(C)SCC(O)CC 62a_100011218378_100000742827 [0,1,1,0,0,0|2,0,0]=4 305 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CC 62a_100000742827_100009816398 [0,1,1,0,0,0|1,0,0]=3 306 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CC 62a_100009816398_100000742827 [0,1,1,0,0,0|1,0,0]=3 307 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100000742827 [0,1,1,0,0,0|2,0,0]=4 308 B11R0.120 CCC(=O)C(C)SC[C@@H](C)CO 62a_100000742827_100000059175 [0,1,1,0,0,0|2,0,0]=4 309 B11R0.120 CCC(C)CNC(=O)C(C)SC 11a_100020588543_100000149566 [0,1,1,0,0,0|1,0,1]=4 310 B11R0.120 CCC(C)CNC(=O)C(C)SC 1626a_100020588543_100000149566 [0,1,1,0,0,0|1,0,1]=4 311 B11R0.120 CCC(C)CNC(=O)C(C)SC 240690a_100020588543_100000149566 [0,1,1,0,0,0|1,0,1]=4 312 B11R0.120 CCC(C)CNC(=O)C(C)SC 527a_100020588543_100000149566 [0,1,1,0,0,0|1,0,1]=4 313 B11R0.120 CCC(C)CNC(C)C(=O)NC 2230a_100020588543_100000731044 [0,1,1,0,0,0|2,0,0]=4 314 B11R0.120 CCC(C)CNC(C)C(=O)OC 2230a_100020588543_100000211248 [0,1,1,0,0,0|2,0,0]=4 315 B11R0.120 CCC(C)CN[C@H](C)C(=O)NC 2230a_100000684985_100000748023 [0,1,1,0,0,0|2,0,0]=4 316 B11R0.120 CCC(C)CN[C@H](C)C(=O)NC 34a_100000684985_100000748023 [0,1,1,0,0,0|2,0,0]=4 317 B11R0.120 CCC(C)COC(C)C(=O)OC 34a_100011215400_100000748023 [0,1,1,0,0,0|1,1,0]=4 318 B11R0.120 CCC(C)CSC(C)C(=O)NC 62a_100000209862_100000748023 [0,1,1,0,0,0|1,0,0]=3 319 B11R0.120 CCC(C)CSC(C)C(=O)NC 62a_100000748023_100000731044 [0,1,1,0,0,0|1,0,0]=3 320 B11R0.120 CCC(C)CSC(C)C(=O)OC 62a_100000211248_100000748023 [0,1,1,0,0,0|1,0,0]=3 321 B11R0.120 CCC(C)CSC(C)C(=O)OC 62a_100000748023_100000211248 [0,1,1,0,0,0|1,0,0]=3 322 B11R0.120 CCC(C)CSC(F)C(=O)NC 62a_100000748023_100009813575 [0,1,1,0,0,0|2,0,0]=4 323 B11R0.120 CCC(C)CSC(F)C(=O)NC 62a_100009813575_100000748023 [0,1,1,0,0,0|2,0,0]=4 324 B11R0.120 CCC(C)NN=C(C)C(C)C#N 4a_100000718999_100000741742 [0,1,1,0,0,0|2,0,0]=4 325 B11R0.120 CCC(C)NN=C(C)C(C)CC 4a_100000718999_100000210599 [0,1,1,0,0,0|2,0,0]=4 326 B11R0.120 CCC(C)NN=C(C)C(C)CO 4a_100000718999_100000032740 [0,1,1,0,0,0|1,1,0]=4 327 B11R0.120 CCC(C)NN=C(C)C(C)SC 4a_100000718999_200011218923 [0,1,1,0,0,0|1,0,0]=3 328 B11R0.120 CCC(O)CSC(C)C(=O)NC 62a_100000209862_100011218378 [0,1,1,0,0,0|2,0,0]=4 329 B11R0.120 CCC(O)CSC(C)C(=O)NC 62a_100011218378_100000731044 [0,1,1,0,0,0|2,0,0]=4 330 B11R0.120 CCC(O)CSC(C)C(=O)OC 62a_100000211248_100011218378 [0,1,1,0,0,0|2,0,0]=4 331 B11R0.120 CCC(O)CSC(C)C(=O)OC 62a_100011218378_100000211248 [0,1,1,0,0,0|2,0,0]=4 332 B11R0.120 CC[C@H](C)CN[C@H](C)C(=O)NC 2230a_100000684985_100009816398 [0,1,1,0,0,0|2,0,0]=4 333 B11R0.120 CC[C@H](C)CN[C@H](C)C(=O)NC 34a_100000684985_100009816398 [0,1,1,0,0,0|2,0,0]=4 334 B11R0.120 CC[C@H](C)COC(C)C(=O)NC 7a_100009816381_100000209862 [0,1,1,0,0,0|1,1,0]=4 335 B11R0.120 CC[C@H](C)COC(C)C(=O)OC 34a_100011215400_100009816398 [0,1,1,0,0,0|1,1,0]=4 336 B11R0.120 CC[C@H](C)COC(C)C(=O)OC 7a_100009816381_100000211248 [0,1,1,0,0,0|1,1,0]=4 337 B11R0.120 CC[C@H](C)CSC(C)C(=O)NC 62a_100000209862_100009816398 [0,1,1,0,0,0|1,0,0]=3 338 B11R0.120 CC[C@H](C)CSC(C)C(=O)NC 62a_100009816398_100000731044 [0,1,1,0,0,0|1,0,0]=3 339 B11R0.120 CC[C@H](C)CSC(C)C(=O)OC 62a_100000211248_100009816398 [0,1,1,0,0,0|1,0,0]=3 340 B11R0.120 CC[C@H](C)CSC(C)C(=O)OC 62a_100009816398_100000211248 [0,1,1,0,0,0|1,0,0]=3 341 B11R0.120 CC[C@H](C)CSC(F)C(=O)NC 62a_100009813575_100009816398 [0,1,1,0,0,0|2,0,0]=4 342 B11R0.120 CC[C@H](C)CSC(F)C(=O)NC 62a_100009816398_100009813575 [0,1,1,0,0,0|2,0,0]=4 343 B11R0.120 CNC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100000731044 [0,1,1,0,0,0|2,0,0]=4 344 B11R0.120 CNC(=O)C(C)SC[C@@H](C)CO 62a_100000209862_100000059175 [0,1,1,0,0,0|2,0,0]=4 345 B11R0.120 COC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100000211248 [0,1,1,0,0,0|2,0,0]=4 346 B11R0.120 COC(=O)C(C)SC[C@@H](C)CO 62a_100000211248_100000059175 [0,1,1,0,0,0|2,0,0]=4 347 B11R0.141 CCCC(C)COC(C)C(=O)C 34a_100000212229_100011216630 [0,1,1,0,0,0|1,1,0]=4 348 B11R0.141 CCCC(C)COC(C)C(=O)C 7a_100000688023_100000179758 [0,1,1,0,0,0|1,1,0]=4 349 B11R0.141 CCCC(C)CSC(C)C(=O)C 62a_100009814033_100011216630 [0,1,1,0,0,0|1,0,0]=3 350 B11R0.141 CCCC(C)CSC(C)C(=O)C 62a_100011216630_100009814033 [0,1,1,0,0,0|1,0,0]=3 351 B11R0.141 CCCC(C)CSC(C)C(=O)N 62a_100000702099_100011216630 [0,1,1,0,0,0|1,0,1]=4 352 B11R0.141 CCCC(C)CSC(C)C(=O)N 62a_100011216630_100000702099 [0,1,1,0,0,0|1,0,1]=4 353 B11R0.141 COCC(O)CSC(C)C(=O)C 62a_100009814033_100011215053 [0,1,1,0,0,0|2,0,0]=4 354 B11R0.141 COCC(O)CSC(C)C(=O)C 62a_100011215053_100009814033 [0,1,1,0,0,0|2,0,0]=4 355 B11R0.201 CC(=O)C(C)(C)SC[C@@H](C)CO 62a_100000059175_100000075568 [0,1,1,0,0,0|2,0,0]=4 356 B11R0.201 CC(=O)C(C)(C)SC[C@@H](C)CO 62a_100000075568_100000059175 [0,1,1,0,0,0|2,0,0]=4 357 B11R0.201 CCC(C)COC(C)(C)C(=O)C 34a_100000747739_100000748023 [0,1,1,0,0,0|1,1,0]=4 358 B11R0.201 CCC(C)COC(C)(C)C(=O)C 7a_100000747739_100000748023 [0,1,1,0,0,0|1,1,0]=4 359 B11R0.201 CCC(C)CSC(C)(C)C(=O)C 62a_100000075568_100000748023 [0,1,1,0,0,0|1,0,0]=3 360 B11R0.201 CCC(C)CSC(C)(C)C(=O)C 62a_100000748023_100000075568 [0,1,1,0,0,0|1,0,0]=3 361 B11R0.201 CCC(C)CSC(C)(C)C(=O)N 62a_100000702505_100000748023 [0,1,1,0,0,0|1,0,1]=4 362 B11R0.201 CCC(C)CSC(C)(C)C(=O)N 62a_100000748023_100000702505 [0,1,1,0,0,0|1,0,1]=4 363 B11R0.201 CCC(C)CSC(C)(C)N(C)C 62a_100000748023_217856628674 [0,1,1,0,0,0|2,0,0]=4 364 B11R0.201 CCC(C)CSC(C)(C)N(C)C 62a_217856628674_100000748023 [0,1,1,0,0,0|2,0,0]=4 365 B11R0.201 CCC(O)CSC(C)(C)C(=O)C 62a_100000075568_100011218378 [0,1,1,0,0,0|2,0,0]=4 366 B11R0.201 CCC(O)CSC(C)(C)C(=O)C 62a_100011218378_100000075568 [0,1,1,0,0,0|2,0,0]=4 367 B11R0.201 CC[C@H](C)COC(C)(C)C(=O)C 34a_100000747739_100009816398 [0,1,1,0,0,0|1,1,0]=4 368 B11R0.201 CC[C@H](C)COC(C)(C)C(=O)C 7a_100000747739_100009816398 [0,1,1,0,0,0|1,1,0]=4 369 B11R0.201 CC[C@H](C)COC(C)(C)C(=O)C 7a_100009816381_100000075568 [0,1,1,0,0,0|1,1,0]=4 370 B11R0.201 CC[C@H](C)CSC(C)(C)C(=O)C 62a_100000075568_100009816398 [0,1,1,0,0,0|1,0,0]=3 371 B11R0.201 CC[C@H](C)CSC(C)(C)C(=O)C 62a_100009816398_100000075568 [0,1,1,0,0,0|1,0,0]=3 372 B11R0.201 CC[C@H](C)CSC(C)(C)C(=O)N 62a_100000702505_100009816398 [0,1,1,0,0,0|1,0,1]=4 373 B11R0.201 CC[C@H](C)CSC(C)(C)C(=O)N 62a_100009816398_100000702505 [0,1,1,0,0,0|1,0,1]=4 374 B11R0.201 CC[C@H](C)CSC(C)(C)N(C)C 62a_100009816398_217856628674 [0,1,1,0,0,0|2,0,0]=4 375 B11R0.201 CC[C@H](C)CSC(C)(C)N(C)C 62a_217856628674_100009816398 [0,1,1,0,0,0|2,0,0]=4 376 B11R0.302 CC(=O)C(C)SCC(C)(C)CO 62a_100009813988_100009814033 [0,1,1,0,0,0|2,0,0]=4 377 B11R0.302 CC(=O)C(C)SCC(C)(C)CO 62a_100009814033_100009813988 [0,1,1,0,0,0|2,0,0]=4 378 B11R0.302 CCC(C)(C)COC(C)C(=O)C 7a_100000765029_100000179758 [0,1,1,0,0,0|1,1,0]=4 379 B11R0.302 COC(C)(C)CSC(C)C(=O)C 62a_100000701081_100009814033 [0,1,1,0,0,0|2,0,0]=4 380 B11R0.302 COC(C)(C)CSC(C)C(=O)C 62a_100009814033_100000701081 [0,1,1,0,0,0|2,0,0]=4 381 B11R1.15 CCNC(C)c1nc(cs1)C 2230a_100015185622_100000210202 [1,1,0,0,0,0|0,0,2]=4 382 B11R1.15 CCNC(C)c1nc(cs1)C 269862a_100015525214_100011857357 [1,1,0,0,0,0|0,0,2]=4 383 B11R1.15 CCNC(C)c1ncc(s1)C 269862a_100015525214_100011857370 [1,1,0,0,0,0|0,0,2]=4 384 B11R1.15 CNCC(C)c1nc(cs1)C 2230a_100000701280_200000210301 [1,1,0,0,0,0|0,0,2]=4 385 B11R1.15 Cc1csc(n1)C(C)CN[13CH3] 2230a_100000701280_200025704644 [1,1,0,0,0,0|0,0,2]=4 386 B11R1.231 CCCCc1nc(c(s1)C)C 271570a_100020621405_100000765934 [1,1,0,0,0,0|0,0,2]=4 387 B11R1.231 CCCSc1nc(c(s1)C)C 62a_100000210303_100000765934 [1,1,0,0,0,0|0,0,2]=4 388 B11R1.231 CCCSc1nc(c(s1)C)C 62a_100000765934_100000210303 [1,1,0,0,0,0|0,0,2]=4 389 B11R1.231 CCNCc1nc(c(s1)C)C 207a_100015525214_100011775437 [1,1,0,0,0,0|0,0,2]=4 390 B11R1.231 CCNCc1nc(c(s1)C)C 2230a_100015525214_100012347604 [1,1,0,0,0,0|0,0,2]=4 391 B11R1.231 CCNCc1nc(c(s1)C)C 270004a_100015525214_100011775437 [1,1,0,0,0,0|0,0,2]=4 392 B11R1.231 CCOCc1nc(c(s1)C)C 34a_100121572206_100012347604 [1,1,0,0,0,0|0,0,2]=4 393 B11R1.231 CCOCc1nc(c(s1)C)C 7a_100000760949_100000210202 [1,1,0,0,0,0|0,0,2]=4 394 B11R1.231 CCSCc1nc(c(s1)C)C 62a_100000210202_100012347604 [1,1,0,0,0,0|0,0,2]=4 395 B11R1.231 CCSCc1nc(c(s1)C)C 62a_100000763442_100000210202 [1,1,0,0,0,0|0,0,2]=4 396 B11R1.231 CNCCc1nc(c(s1)C)C 2230a_100000759773_200000210301 [1,1,0,0,0,0|0,0,2]=4 397 B11R1.231 Cc1nc(sc1C)CCN[13CH3] 2230a_100000759773_200025704644 [1,1,0,0,0,0|0,0,2]=4 398 B13R1.691 CCCC(C)Nc1nc(c(s1)C)C 27a_100000741246_100000765934 [0,1,0,0,0,1|0,0,2]=4 399 B13R1.691 CCCC(C)Sc1nc(c(s1)C)C 62a_100000765934_100000766640 [0,1,0,0,0,1|0,0,2]=4 400 B13R1.691 CCCC(C)Sc1nc(c(s1)C)C 62a_100000766640_100000765934 [0,1,0,0,0,1|0,0,2]=4 401 B13R1.691 COCC(C)Sc1nc(c(s1)C)C 62a_100000765312_100000765934 [0,1,0,0,0,1|0,0,2]=4 402 B13R1.691 COCC(C)Sc1nc(c(s1)C)C 62a_100000765934_100000765312 [0,1,0,0,0,1|0,0,2]=4 403 B13R1.691 COC[C@@H](C)Nc1nc(c(s1)C)C 27a_100000764878_100000765934 [0,1,0,0,0,1|0,0,2]=4 404 B13R1.691 Cc1nc(sc1C)N[C@H](C)CCO 27a_100000706166_100000765934 [0,1,0,0,0,1|0,0,2]=4 405 B13R1.691 Cc1nc(sc1C)SC(C)CCO 62a_100000765934_100009893172 [0,1,0,0,0,1|0,0,2]=4 406 B13R1.691 Cc1nc(sc1C)SC(C)CCO 62a_100009893172_100000765934 [0,1,0,0,0,1|0,0,2]=4 407 B13R1.701 CCC(C)N(C)c1nc(c(s1)C)C 27a_100000741768_100000765934 [0,1,0,0,0,1|0,0,2]=4 408 B13R1.2972 CCC(C)Sc1nc(c(s1)C)CO 62a_100000758301_100010127906 [0,1,0,0,0,1|0,0,2]=4 409 B13R1.2972 CCC(C)Sc1nc(c(s1)C)CO 62a_100010127906_100000758301 [0,1,0,0,0,1|0,0,2]=4 410 B13R1.2972 CCC(C)Sc1nc(c(s1)CO)C 62a_100000758301_100010264302 [0,1,0,0,0,1|0,0,2]=4 411 B13R1.2972 CCC(C)Sc1nc(c(s1)CO)C 62a_100010264302_100000758301 [0,1,0,0,0,1|0,0,2]=4 412 B13R1.3449 Cc1nc(sc1C)NC(C)C(C)C 27a_100000211541_100000765934 [0,1,0,0,0,1|0,0,2]=4 413 B13R1.3490 CCC(CC)Nc1nc(c(s1)C)C 27a_100000199018_100000765934 [0,1,0,0,0,1|0,0,2]=4 414 B13R1.3490 CCC(CC)Sc1nc(c(s1)C)C 62a_100000210505_100000765934 [0,1,0,0,0,1|0,0,2]=4 415 B13R1.3490 CCC(CC)Sc1nc(c(s1)C)C 62a_100000765934_100000210505 [0,1,0,0,0,1|0,0,2]=4 416 B13R1.3490 CC[C@@H](CO)Nc1nc(c(s1)C)C 27a_100000709445_100000765934 [0,1,0,0,0,1|0,0,2]=4 417 B13R1.4127 CCC(C)(C)Nc1nc(c(s1)C)C 27a_100000211385_100000765934 [0,1,0,0,0,1|0,0,2]=4 418 B13R1.4127 CCC(C)(C)Sc1nc(c(s1)C)C 62a_100000032637_100000765934 [0,1,0,0,0,1|0,0,2]=4 419 B13R1.4127 CCC(C)(C)Sc1nc(c(s1)C)C 62a_100000765934_100000032637 [0,1,0,0,0,1|0,0,2]=4 420 B13R1.180 CCNC(CC)c1nc(c(s1)C)C 2230a_200015187085_100000210202 [0,2,0,0,0,0|0,0,2]=4 421 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)C 1458a_100000709782_200000210301 [0,0,1,1,0,0|2,0,0]=4 422 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100000709782_200025704644 [0,0,1,1,0,0|2,0,0]=4 423 B11R1.104 CC(=O)C(C)OCC1CC1C 7a_100000744939_100000179758 [0,0,1,1,0,0|1,1,0]=4 424 B11R1.223 CCC(C)CSC1CCC1=O 62a_100000748023_100009892977 [0,0,1,1,0,0|1,0,0]=3 425 B11R1.223 CCC(C)CSC1CCC1=O 62a_100009892977_100000748023 [0,0,1,1,0,0|1,0,0]=3 426 B11R1.223 CCC(O)CSC1CCC1=O 62a_100009892977_100011218378 [0,0,1,1,0,0|2,0,0]=4 427 B11R1.223 CCC(O)CSC1CCC1=O 62a_100011218378_100009892977 [0,0,1,1,0,0|2,0,0]=4 428 B11R1.223 CC[C@H](C)COC1CCC1=O 7a_100009816381_100009892977 [0,0,1,1,0,0|1,1,0]=4 429 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009816398_100009892977 [0,0,1,1,0,0|1,0,0]=3 430 B11R1.223 CC[C@H](C)CSC1CCC1=O 62a_100009892977_100009816398 [0,0,1,1,0,0|1,0,0]=3 431 B11R1.223 C[C@@H](CO)CSC1CCC1=O 62a_100000059175_100009892977 [0,0,1,1,0,0|2,0,0]=4 432 B11R1.223 C[C@@H](CO)CSC1CCC1=O 62a_100009892977_100000059175 [0,0,1,1,0,0|2,0,0]=4 433 B11R1.321 CCC1CN(C1)C(C)C(=O)C 2230a_100015205115_100009814033 [0,0,1,1,0,0|2,0,0]=4 434 B11R1.321 CCC1CN(C1)C(C)C(=O)C 269982a_100015205115_100009814033 [0,0,1,1,0,0|2,0,0]=4 435 B11R1.332 C=C(C)C(C)NCC1CCC1 269862a_100000738700_100011216138 [0,0,1,1,0,0|2,0,0]=4 436 B11R1.332 CC(=NNC1CCC1)C(C)C 4a_100000736358_100000211110 [0,0,1,1,0,0|2,0,0]=4 437 B11R1.332 CC(=NNC1CCC1)C(C)O 4a_100000736358_100000212229 [0,0,1,1,0,0|1,1,0]=4 438 B11R1.332 CC(=O)C(C)NCC1CCC1 2230a_100000738700_100009814033 [0,0,1,1,0,0|2,0,0]=4 439 B11R1.332 CC(=O)C(C)OCC1CCC1 34a_100000212229_100000763275 [0,0,1,1,0,0|1,1,0]=4 440 B11R1.332 CC(=O)C(C)SCC1CCC1 62a_100000763275_100009814033 [0,0,1,1,0,0|1,0,0]=3 441 B11R1.332 CC(=O)C(C)SCC1CCC1 62a_100009814033_100000763275 [0,0,1,1,0,0|1,0,0]=3 442 B11R1.332 CC(=O)C(C)SCC1CCO1 62a_100000103362_100009814033 [0,0,1,1,0,0|2,0,0]=4 443 B11R1.332 CC(=O)C(C)SCC1CCO1 62a_100009814033_100000103362 [0,0,1,1,0,0|2,0,0]=4 444 B11R1.332 CC(=O)C(C)SCC1COC1 62a_100009814033_100010264016 [0,0,1,1,0,0|2,0,0]=4 445 B11R1.332 CC(=O)C(C)SCC1COC1 62a_100010264016_100009814033 [0,0,1,1,0,0|2,0,0]=4 446 B11R1.332 CC(SCC1CCC1)C(=O)N 62a_100000702099_100000763275 [0,0,1,1,0,0|1,0,1]=4 447 B11R1.332 CC(SCC1CCC1)C(=O)N 62a_100000763275_100000702099 [0,0,1,1,0,0|1,0,1]=4 448 B11R1.524 CCC(C)NN=C(C)C1CC1 4a_100000718999_100000210639 [0,0,1,1,0,0|2,0,0]=4 449 B11R1.524 CCC(C)NN=C(C)C1CO1 4a_100000718999_100000031964 [0,0,1,1,0,0|1,1,0]=4 450 B11R1.744 C=C(C)C(C)NCC1(CC1)C 269862a_100000766693_100011216138 [0,0,1,1,0,0|2,0,0]=4 451 B11R1.744 CC(=O)C(C)NCC1(CC1)C 2230a_100000766693_100009814033 [0,0,1,1,0,0|2,0,0]=4 452 B11R1.744 CC(=O)C(C)OCC1(CC1)C 7a_100000698024_100000179758 [0,0,1,1,0,0|1,1,0]=4 453 B11R1.744 CC(=O)C(C)SCC1(CO1)C 62a_100000760498_100009814033 [0,0,1,1,0,0|2,0,0]=4 454 B11R1.744 CC(=O)C(C)SCC1(CO1)C 62a_100009814033_100000760498 [0,0,1,1,0,0|2,0,0]=4 455 B11R2.355 Cc1nc(sc1C)C2CC2 271570a_100011220607_100000765934 [1,0,0,1,0,0|0,0,2]=4 456 B13R2.348 Cc1nc(sc1C)N2CCC2C 27a_100000755817_100000765934 [0,0,0,1,0,1|0,0,2]=4 457 B13R2.2998 Cc1nc(sc1C)NC2(CC2)C 27a_100000757604_100000765934 [0,0,0,1,0,1|0,0,2]=4 458 B13R2.10147 Cc1nc(sc1C)NC2CCC2 27a_100000749019_100000765934 [0,0,0,1,0,1|0,0,2]=4 459 B13R2.10147 Cc1nc(sc1C)SC2CCC2 62a_100000765934_100000749161 [0,0,0,1,0,1|0,0,2]=4 460 B9R0.27 CCC(C)C(C)C(C)OC 7a_200011290770_200000210301 [0,0,1,0,1,0|2,0,0]=4 461 B9R0.27 CCC(C)C(C)C(C)O[13CH3] 7a_200011290770_200025704644 [0,0,1,0,1,0|2,0,0]=4 462 B11R0.279 C/C=C/C(CCC)OC(C)CC 34a_200016264281_100011215416 [0,0,1,0,0,1|2,0,0]=4 463 B11R0.279 C/C=C/C(CCC)OC(C)CC 7a_200016264281_100000758301 [0,0,1,0,0,1|2,0,0]=4 464 B11R0.107 CC(=O)OC(C)SC[C@@H](C)CO 62a_100000059175_100009818208 [0,0,1,0,0,1|2,0,0]=4 465 B11R0.107 CC(=O)OC(C)SC[C@@H](C)CO 62a_100009818208_100000059175 [0,0,1,0,0,1|2,0,0]=4 466 B11R0.107 CCC(C)COC(C)C=C(C)C 34a_100000717055_100000748023 [0,0,1,0,0,1|1,1,0]=4 467 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000731052_100000748023 [0,0,1,0,0,1|1,0,1]=4 468 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000748023_100000731052 [0,0,1,0,0,1|1,0,1]=4 469 B11R0.107 CCC(C)CSC(C)CN(C)C 62a_100000748023_100020606517 [0,0,1,0,0,1|2,0,0]=4 470 B11R0.107 CCC(C)CSC(C)CN(C)C 62a_100020606517_100000748023 [0,0,1,0,0,1|2,0,0]=4 471 B11R0.107 CCC(C)CSC(C)OC(=O)C 62a_100000748023_100009818208 [0,0,1,0,0,1|1,0,0]=3 472 B11R0.107 CCC(C)CSC(C)OC(=O)C 62a_100009818208_100000748023 [0,0,1,0,0,1|1,0,0]=3 473 B11R0.107 CCC(O)CSC(C)OC(=O)C 62a_100009818208_100011218378 [0,0,1,0,0,1|2,0,0]=4 474 B11R0.107 CCC(O)CSC(C)OC(=O)C 62a_100011218378_100009818208 [0,0,1,0,0,1|2,0,0]=4 475 B11R0.107 CC[C@H](C)COC(C)C=C(C)C 34a_100000717055_100009816398 [0,0,1,0,0,1|1,1,0]=4 476 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100000731052_100009816398 [0,0,1,0,0,1|1,0,1]=4 477 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100009816398_100000731052 [0,0,1,0,0,1|1,0,1]=4 478 B11R0.107 CC[C@H](C)CSC(C)CN(C)C 62a_100009816398_100020606517 [0,0,1,0,0,1|2,0,0]=4 479 B11R0.107 CC[C@H](C)CSC(C)CN(C)C 62a_100020606517_100009816398 [0,0,1,0,0,1|2,0,0]=4 480 B11R0.107 CC[C@H](C)CSC(C)OC(=O)C 62a_100009816398_100009818208 [0,0,1,0,0,1|1,0,0]=3 481 B11R0.107 CC[C@H](C)CSC(C)OC(=O)C 62a_100009818208_100009816398 [0,0,1,0,0,1|1,0,0]=3 482 B11R0.109 C=C(C)C(C)NCCC(C)CC 269862a_100020591266_100011216138 [0,0,1,0,0,1|2,0,0]=4 483 B11R0.109 CCC(C)CCNC(C)C(=O)C 2230a_100020591266_100009814033 [0,0,1,0,0,1|2,0,0]=4 484 B11R0.109 CCC(C)CCOC(C)C(=O)C 7a_100011215188_100000179758 [0,0,1,0,0,1|1,1,0]=4 485 B11R0.109 CCC(C)COCC(C)C(=O)C 34a_100000032740_100000748023 [0,0,1,0,0,1|1,1,0]=4 486 B11R0.109 CCC(C)COCC(C)C(=O)C 7a_100000032740_100000748023 [0,0,1,0,0,1|1,1,0]=4 487 B11R0.109 CCC(O)CNN=C(C)C(C)C 4a_100015206393_100000211110 [0,0,1,0,0,1|2,0,0]=4 488 B11R0.109 CCC(O)CNN=C(C)C(C)O 4a_100015206393_100000212229 [0,0,1,0,0,1|1,1,0]=4 489 B11R0.109 CC[C@H](C)COCC(C)C(=O)C 34a_100000032740_100009816398 [0,0,1,0,0,1|1,1,0]=4 490 B11R0.109 CC[C@H](C)COCC(C)C(=O)C 7a_100000032740_100009816398 [0,0,1,0,0,1|1,1,0]=4 491 B11R1.39 CCC(C)Sc1nc(cs1)C 62a_100000758301_100011291629 [1,0,0,0,0,1|0,0,2]=4 492 B11R1.39 CCC(C)Sc1nc(cs1)C 62a_100011291629_100000758301 [1,0,0,0,0,1|0,0,2]=4 493 B11R1.39 CCC(C)Sc1nc(ns1)C 62a_100000709739_100000758301 [1,0,0,0,0,1|1,0,1]=4 494 B11R1.39 CCC(C)Sc1nc(ns1)C 62a_100000758301_100000709739 [1,0,0,0,0,1|1,0,1]=4 495 B11R1.39 CCC(C)Sc1ncc(s1)C 62a_100000690809_100000758301 [1,0,0,0,0,1|0,0,2]=4 496 B11R1.39 CCC(C)Sc1ncc(s1)C 62a_100000758301_100000690809 [1,0,0,0,0,1|0,0,2]=4 497 B13R1.597 CCC(C)CNc1nc(c(s1)C)C 27a_100020588543_100000765934 [0,0,0,0,0,2|0,0,2]=4 498 B13R1.597 CCC(C)CSc1nc(c(s1)C)C 62a_100000748023_100000765934 [0,0,0,0,0,2|0,0,2]=4 499 B13R1.597 CCC(C)CSc1nc(c(s1)C)C 62a_100000765934_100000748023 [0,0,0,0,0,2|0,0,2]=4 500 B13R1.597 CCC(C)NCc1nc(c(s1)C)C 207a_100000209981_100011775437 [0,0,0,0,0,2|0,0,2]=4 501 B13R1.597 CCC(C)NCc1nc(c(s1)C)C 2230a_100000209981_100012347604 [0,0,0,0,0,2|0,0,2]=4 502 B13R1.597 CCC(C)NCc1nc(c(s1)C)C 270004a_100000209981_100011775437 [0,0,0,0,0,2|0,0,2]=4 503 B13R1.597 CCC(C)OCc1nc(c(s1)C)C 7a_100000210228_100012347604 [0,0,0,0,0,2|0,0,2]=4 504 B13R1.597 CCC(C)OCc1nc(c(s1)C)C 7a_100000760949_100000758301 [0,0,0,0,0,2|0,0,2]=4 505 B13R1.597 CCC(C)SCc1nc(c(s1)C)C 62a_100000758301_100012347604 [0,0,0,0,0,2|0,0,2]=4 506 B13R1.597 CCC(C)SCc1nc(c(s1)C)C 62a_100000763442_100000758301 [0,0,0,0,0,2|0,0,2]=4 507 B13R1.597 CC[C@H](C)CSc1nc(c(s1)C)C 62a_100000765934_100009816398 [0,0,0,0,0,2|0,0,2]=4 508 B13R1.597 CC[C@H](C)CSc1nc(c(s1)C)C 62a_100009816398_100000765934 [0,0,0,0,0,2|0,0,2]=4